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Improved Prediction of Aqueous Solubility of Novel Compounds by Going Deeper With Deep Learning

Aqueous solubility is an important physicochemical property of compounds in anti-cancer drug discovery. Artificial intelligence solubility prediction tools have scored impressive performances by employing regression, machine learning, and deep learning methods. The reported performances vary signifi...

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Detalles Bibliográficos
Autores principales:	Cui, Qiuji, Lu, Shuai, Ni, Bingwei, Zeng, Xian, Tan, Ying, Chen, Ya Dong, Zhao, Hongping
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2020
Materias:	Oncology
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7026387/ https://www.ncbi.nlm.nih.gov/pubmed/32117768 http://dx.doi.org/10.3389/fonc.2020.00121

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